• Progress in Medical Physics
• /
• v.14 no.4
• /
• pp.240-248
• /
• 2003

The Monte Carlo calculation is the most accurate means of predicting radiation dose, but its accuracy is accompanied by an increase in the amount of time required to produce a statistically meaningful dose distribution. In this study, the effects on calculation time by introducing variance reduction techniques and increasing computing power, respectively, in the Monte Carlo dose calculation for a 6 MV photon beam from the Varian 600 C/D were estimated when maintaining accuracy of the Monte Carlo calculation results. The EGSnrc­based BEAMnrc code was used to simulate the beam and the EGSnrc­based DOSXYZnrc code to calculate dose distributions. Variance reduction techniques in the codes were used to describe reduced­physics, and a computer cluster consisting of ten PCs was built to execute parallel computing. As a result, time was more reduced by the use of variance reduction techniques than that by the increase of computing power. Because the use of the Monte Carlo dose calculation in clinical practice is yet limited by reducing the computational time only through improvements in computing power, introduction of reduced­physics into the Monte Carlo calculation is inevitable at this point. Therefore, a more active investigation of existing or new reduced­physics approaches is required.

• Fashion & Textile Research Journal
• /
• v.18 no.1
• /
• pp.91-102
• /
• 2016

This study classified the lower body types of female adults aged 18 to 69. The lower body was divided into front, lateral front, and lateral back. In order to understand the shape and somatotype of each segment, 592 people were analyzed based on girth, height, length, depth, width, angle and cross section distance for each segment. For data analysis, SPSS 18.0 was performed for descriptive statics, principal component analysis, K-means cluster analysis, ANOVA, and Duncan's test (as verification). Factor analysis was performed based on index values, calculation values, angles, and cross section distances. The measured items resulted in a.) 16 items were extracted to 5 factors in the case of the front factor (FF) of the lower body, and b.) 24 items were extracted to 6 factors in the case of lateral front factor (LFF) and lateral back factor (LBF). Each factor was put through K-means cluster analysis, classifying the lower bodies into one of four types of based on the front type (FT), the lateral front type (LFT), and the lateral back type (LBT) respectively. This study proposed an understanding of various lower body shapes by segmenting and classifying the lower body shapes for each type.

• Journal of the Korean Society of Clothing and Textiles
• /
• v.27 no.7
• /
• pp.758-769
• /
• 2003

In this research, I classified adult women's back types through anthropometric measurement and photographic measurement to present a judging individual body size according to the type. Also, Ⅰ calculated regression fomula by types and presented the basic bodice pattern. The results were as follows: 1. The result of factor analysis indicated that 5 factors were extracted and those factors comprised 75.89% of total variance. 2. According to the cluster analysis, Ⅰclassified the back types into 6 types. Type 1 was passive posture in the upper and the lower parts of the back. Type 2 was active posture in the upper and the lower parts of the back. Type 3 had the lowest protrusion of the back. Type 4 had the upper part of the back which is mostly bent downward. Type 5 was the most suitable shape. Type 6 had the lower part of the back which was turned over the most. 3. Ⅰconducted a discriminant analysis to judge the body types of individuals. 4. For the calculation of measurements necessary for the basic bodice pattern, Ⅰpresented regression formulas by each type. 5. By conducting the wearing experiments, Ⅰsuccessfully made the final basic bodice patterns by types. As a result of comparative experiments between the basic bodice patterns and comparison bodice pattern, the suitability of basic bodice patterns were more highly assessed.

• Bulletin of the Korean Chemical Society
• /
• v.21 no.10
• /
• pp.953-954
• /
• 2000

The equilibrium geometrical structures of silver atom clusters at their electronic ground states have been theo-retically determined by using the nonrelativistic semiempirical INDO/1 method. The clusters investigated are Agn, Agn+, and Agn- (n = 7 , 8, 9). In order to find the most stable structure, i.e., the global minimum in energy hypersurface, geometry optimization and energy calculation processes have been repeatedly performed for all the possible graphical models by changing the bond parameters (resonance integral values). The heptamers are pentagonal bipyramidal-Ag7(D5h), Ag7+ (D5h), Ag7- (D5h); the octamers are pentagonal bipyramidal with one atom capped-Ag8(D2d), Ag8+ (Cs), Ag8- (D2d); the nonamers are pentagonal bipyramidal with two atoms capped -Ag9(C2v), Ag9+ (C2v), Ag9- (C2v). Our structures are in good agreement with those by ab initio calculations ex-cept for the anionic Ag9- cluster. And it is noted that the INDO/1 method can accurately predict the Ag cluster geometries when a proper set of bond parameters is used.

• Korean Chemical Engineering Research
• /
• v.56 no.6
• /
• pp.909-913
• /
• 2018

A hydrocarbon trap (HT) plays an important role of controlling vehicle emissions in the so-called cold emission period by holding hydrocarbons until three way catalysts (TWCs) are thermally activated. In this study, we have investigated the adsorption characteristics of cation (H, La, K, and Ag)-exchanged ZSM-5 zeolites for hydrocarbons (propylene, n-butane, and toluene) by DFT (density functional theory)-based computational chemistry. Cation exchange is to improve the hydrothermal stability of zeolites and their adsorption capacity, thereby rendering cation-exchanged zeolites promising materials for HT. The idea of cluster approximation makes the calculation of adsorption energies superbly efficient in computation. The results showed that Ag-exchanged ZSM-5 would be the best for the adsorption of all three adsorbates, without often encountered Ag oxidation in experiments. Besides, the hydrothermal stability of La-exchanged ZSM-5 was confirmed from the change of geometrical parameters by cation exchange, and it showed good adsorption capacity for propylene and toluene. Hydrogen-exchanged ZSM-5 was also good for hydrogen adsorption, but had poor hydrothermal stability.

• Journal of the Korean Magnetics Society
• /
• v.19 no.5
• /
• pp.157-160
• /
• 2009

We have studied electronic structures and magnetic properties of one dimensional Ge chain nanoclusters using OpenMX method based on densty functional method. The calculation results show the strong antiferromagnetic interaction between Cr and Ge atoms. The magnetic interaction between Ge and Ge atoms are almost antiferromagnetic behaviors. The magnetic exchange interaction are occurred over the sevaral Ge atom layers. The magnitude of this interaction depends number of Ge atom.

• 유체기계공업학회:학술대회논문집
• /
• 2006.08a
• /
• pp.383-386
• /
• 2006

In this study, we propose a new fast algorithm for calculating short range forces in molecular dynamics, This algorithm uses a new hierarchical tree data structure which has a high adaptiveness to the particle distribution. It can divide a parent cell into k daughter cells and the tree structure is independent of the coordinate system and particle distribution. We investigated the characteristics and the performance of the tree structure according to k. For parallel computation, we used orthogonal recursive bisection method for domain decomposition to distribute particles to each processor, and the numerical experiments were performed on a 32-node Linux cluster. We compared the performance of the oct-tree and developed new algorithm according to the particle distributions, problem sizes and the number of processors. The comparison was performed sing tree-independent method and the results are independent of computing platform, parallelization, or programming language. It was found that the new algorithm can reduce computing cost for a large problem which has a short search range compared to the computational domain. But there are only small differences in wall-clock time because the proposed algorithm requires much time to construct tree structure than the oct-tree and he performance gain is small compared to the time for single time step calculation.

• Proceedings of the KIEE Conference
• /
• 2002.07c
• /
• pp.1515-1517
• /
• 2002

$MnO_2$ is used for the oxide electrode of electrochemical equipments because of its good electric conductivity and low oxygen overpotential. The effect of additives on the properties of $MnO_2$ has been investigated to enhance the electric conductivity and the stability in an acid solution. In this research, the effect of Ni addition on ${\beta}-MnO_2$ was studied by the theoretical quantum chemical method. The calculation was carried out by the discrete variation $X{\alpha}$ method, which is a sort of the first principle method and use Hatre-Fock-Slater approximation. The electron energy level, the density of state, the bond overlap population, the charge density distribution and the net ionic transfer between cations and anions were calculated and discussed. The used cluster model was $(Mn_{10}NiO_{44})^{-44}$.

• Korean Journal of Crystallography
• /
• v.14 no.1
• /
• pp.16-23
• /
• 2003

The electronic structure and chemical bonding of β-MnO₂ were theoretically investigated by DV-X/sub α/ (the discrete variation X/sub α/) method. which is a sort of the first principle molecular orbital method using Hatre-Fock-Slater approximation. The calculations on several cluster models having different sizes were carried out for the determination of a model suited for analyzing bulk state. The Mn/sub 15/O/sub 56/ model was selected as a sufficiently suitable model for the calculation of electronic state and chemical bonding by the comparison of the calculated XPS (X-ray photo-electron spectrum) and experimentally measured XPS. By using this model, the electron energy level, the density of state, the bond overlap population, the charge density distribution, and the net ionic transfer between cations and anions were calculated and discussed.

• Korean Journal of Metals and Materials
• /
• v.46 no.9
• /
• pp.604-608
• /
• 2008

The layered compounds vanadium disulfide($VS_2$) and vanadium dioxide($VO_2$) intercalated with Li are investigated for using the Discrete Variational $(DV)-X{\alpha}$ molecular orbital method. The chemical bonding properties of the atoms were examined by bond overlap population of electronic states. The plot of density of states supports the covalent bonding properties by showing the overlap between the atoms. There is a strong tendency of covalent bonding between V-S and V-O. The intensity of covalent bonding of $VS_2$ is stronger than $VO_2$. The net charge of $LiVO_2$ is higher than that of $LiVS_2$. This results of the calculation of $VO_2$ and $VS_2$ indicate that $(DV)-X{\alpha}$ method can be widely applied in the new practical materials.